element(s):
['Al', 'Au']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.0428']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Au']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.0428, 0, 0], [0, 6.0428, 0], [0, 0, 6.0428]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:06:57      -37.469942         0.946973
BFGS:    1 17:06:57      -37.507775         0.917428
BFGS:    2 17:06:57      -37.637183         0.807878
BFGS:    3 17:06:58      -37.750082         0.697224
BFGS:    4 17:06:58      -37.846297         0.585579
BFGS:    5 17:06:58      -37.925811         0.475137
BFGS:    6 17:06:58      -37.989147         0.370929
BFGS:    7 17:06:59      -38.037717         0.279152
BFGS:    8 17:06:59      -38.073666         0.202576
BFGS:    9 17:06:59      -38.099060         0.137252
BFGS:   10 17:07:00      -38.114987         0.074888
BFGS:   11 17:07:00      -38.121293         0.007970
BFGS:   12 17:07:00      -38.121359         0.000538
BFGS:   13 17:07:01      -38.121360         0.000004
BFGS:   14 17:07:01      -38.121360         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.184050003389661e-31 eV/Angstrom
Maximum stress component: 9.475741503084337e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Au', 'Au', 'Au', 'Au']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [2.17070238e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.22199680e-34]]
cellpar =  Cell([[6.304206166025346, 1.0347901700243673e-32, 6.43062059957642e-34], [1.042073033140945e-32, 6.304206166025346, 4.6094462777630556e-18], [-6.253036776143191e-34, 4.609446277763056e-18, 6.304206166025346]])
forces =  [[ 8.41807854e-32 -3.31866558e-31 -2.34734882e-31]
 [-4.04715314e-32 -1.57029542e-31 -1.92644490e-31]
 [-1.66337994e-31 -4.04715314e-31  5.58507134e-31]
 [ 6.96110341e-32 -2.42829189e-31  3.28628835e-31]
 [ 2.63874385e-31  2.59017801e-32  6.18405000e-31]
 [-4.73516918e-32  3.05964778e-31  4.01477592e-31]
 [-5.82790053e-32  1.68361571e-31 -5.97359804e-31]
 [ 1.61886126e-31 -1.48935236e-31 -2.89776165e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-9.47574150e-11 -9.47574150e-11 -9.47574150e-11  3.62032250e-29
 -5.18614349e-60 -1.04939039e-59]
energy per atom =  -3.176779973619311
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0